Molecular dynamics simulation of the order-disorder phase transition in solid NaNO2_2

We present molecular dynamics simulations of solid NaNO$_2$ using pair potentials with the rigid-ion model. The crystal potential surface is calculated by using an \emph{a priori} method which integrates the \emph{ab initio} calculations with the Gordon-Kim electron gas theory. This approach is carefully examined by using different population analysis methods and comparing the intermolecular interactions resulting from this approach with those from the \emph{ab initio} Hartree-Fock calculations. Our numerics shows that the ferroelectric-paraelectric phase transition in solid NaNO$_2$ is triggered by rotation of the nitrite ions around the crystallographical c axis, in agreement with recent X-ray experiments [Gohda \textit{et al.}, Phys. Rev. B \textbf{63}, 14101 (2000)]. The crystal-field effects on the nitrite ion are also addressed. Remarkable internal charge-transfer effect is found.Comment: RevTeX 4.0, 11 figure

Hepatocellular carcinoma: updates in pathogenesis, detection and treatment

Hepatocellular carcinoma (HCC) is the most frequent primary liver cancer and the second most common cause of cancer mortality worldwide [1]. The prognosis of HCC patients is very poor. The rates of HCC incidence and mortality are almost equivalent [2] and have increased across most countries over the past three decades [3]. HCC development is closely associated with the presence of chronic liver disease and cirrhosis, albeit the risk factors underlying this condition vary geographically. Hepatitis B virus (HBV) infection and aflatoxin B1 exposure are predominant risk factors in Asia and Africa, while hepatitis C virus (HCV) infection and alcohol consumption are the main risk factors in Europe, the USA and Japan [3,4,5]. Non-alcoholic fatty liver disease (NAFLD) is currently the most prevalent liver disease worldwide, and approximately 60% of biopsied NAFLD patients have non-alcoholic steatohepatitis (NASH) [3]. Importantly, patients with NASH are at high risk of developing HCC even without presenting established cirrhosis [6]. With widespread HBV vaccination and the advent of direct-acting antiviral drugs for HCV infection, NAFLD and associated conditions such as diabetes and obesity are emerging as major global risk factors for HCC. In view of the dismal prognosis of HCC patients, implementing preventive strategies would be an ideal approach to quell the incidence of the disease. Obvious interventions include advocating HBV vaccination in endemic regions, achieving HCV eradication with direct-acting antivirals, promoting healthy nutrition and weight reduction, improving diabetes control, and avoiding excessive alcohol consumption. Still, the implementation of these measures is not always feasible

State transfer in dissipative and dephasing environments

By diagonalization of a generalized superoperator for solving the master equation, we investigated effects of dissipative and dephasing environments on quantum state transfer, as well as entanglement distribution and creation in spin networks. Our results revealed that under the condition of the same decoherence rate $\gamma$, the detrimental effects of the dissipative environment are more severe than that of the dephasing environment. Beside this, the critical time $t_c$ at which the transfer fidelity and the concurrence attain their maxima arrives at the asymptotic value $t_0=\pi/2\lambda$ quickly as the spin chain length $N$ increases. The transfer fidelity of an excitation at time $t_0$ is independent of $N$ when the system subjects to dissipative environment, while it decreases as $N$ increases when the system subjects to dephasing environment. The average fidelity displays three different patterns corresponding to $N=4r+1$, $N=4r-1$ and $N=2r$. For each pattern, the average fidelity at time $t_0$ is independent of $r$ when the system subjects to dissipative environment, and decreases as $r$ increases when the system subjects to dephasing environment. The maximum concurrence also decreases as $N$ increases, and when $N\rightarrow\infty$, it arrives at an asymptotic value determined by the decoherence rate $\gamma$ and the structure of the spin network.Comment: 12 pages, 6 figure

Time-dependent Stochastic Modeling of Solar Active Region Energy

A time-dependent model for the energy of a flaring solar active region is presented based on a stochastic jump-transition model (Wheatland and Glukhov 1998; Wheatland 2008; Wheatland 2009). The magnetic free energy of the model active region varies in time due to a prescribed (deterministic) rate of energy input and prescribed (random) flare jumps downwards in energy. The model has been shown to reproduce observed flare statistics, for specific time-independent choices for the energy input and flare transition rates. However, many solar active regions exhibit time variation in flare productivity, as exemplified by NOAA active region AR 11029 (Wheatland 2010). In this case a time-dependent model is needed. Time variation is incorporated for two cases: 1. a step change in the rates of flare jumps; and 2. a step change in the rate of energy supply to the system. Analytic arguments are presented describing the qualitative behavior of the system in the two cases. In each case the system adjusts by shifting to a new stationary state over a relaxation time which is estimated analytically. The new model retains flare-like event statistics. In each case the frequency-energy distribution is a power law for flare energies less than a time-dependent rollover set by the largest energy the system is likely to attain at a given time. For Case 1, the model exhibits a double exponential waiting-time distribution, corresponding to flaring at a constant mean rate during two intervals (before and after the step change), if the average energy of the system is large. For Case 2 the waiting-time distribution is a simple exponential, again provided the average energy of the system is large. Monte Carlo simulations of Case~1 are presented which confirm the analytic estimates. The simulation results provide a qualitative model for observed flare statistics in active region AR 11029.Comment: 25 pages, 9 figure

Adhesion mechanics of graphene membranes

The interaction of graphene with neighboring materials and structures plays an important role in its behavior, both scientifically and technologically. The interactions are complicated due to the interplay between surface forces and possibly nonlinear elastic behavior. Here we review recent experimental and theoretical advances in the understanding of graphene adhesion. We organize our discussion into experimental and theoretical efforts directed toward: graphene conformation to a substrate, determination of adhesion energy, and applications where graphene adhesion plays an important role. We conclude with a brief prospectus outlining open issues.Comment: Review article to appear in special issue on graphene in Solid State Communication

環境負荷低減のための光触媒材料の創製

指導教員: 橋本, 和

Combined constraints on modified Chaplygin gas model from cosmological observed data: Markov Chain Monte Carlo approach

We use the Markov Chain Monte Carlo method to investigate a global constraints on the modified Chaplygin gas (MCG) model as the unification of dark matter and dark energy from the latest observational data: the Union2 dataset of type supernovae Ia (SNIa), the observational Hubble data (OHD), the cluster X-ray gas mass fraction, the baryon acoustic oscillation (BAO), and the cosmic microwave background (CMB) data. In a flat universe, the constraint results for MCG model are, $\Omega_{b}h^{2}=0.02263^{+0.00184}_{-0.00162}$ ($1\sigma$) $^{+0.00213}_{-0.00195}$ $(2\sigma)$, $B_{s}=0.7788^{+0.0736}_{-0.0723}$ ($1\sigma$) $^{+0.0918}_{-0.0904}$ $(2\sigma)$, $\alpha=0.1079^{+0.3397}_{-0.2539}$ ($1\sigma$) $^{+0.4678}_{-0.2911}$ $(2\sigma)$, $B=0.00189^{+0.00583}_{-0.00756}$ ($1\sigma$) $^{+0.00660}_{-0.00915}$ $(2\sigma)$, and $H_{0}=70.711^{+4.188}_{-3.142}$ ($1\sigma$) $^{+5.281}_{-4.149}$ $(2\sigma)$.Comment: 12 pages, 1figur

Special symplectic Lie groups and hypersymplectic Lie groups

A special symplectic Lie group is a triple $(G,\omega,\nabla)$ such that $G$ is a finite-dimensional real Lie group and $\omega$ is a left invariant symplectic form on $G$ which is parallel with respect to a left invariant affine structure $\nabla$. In this paper starting from a special symplectic Lie group we show how to ``deform" the standard Lie group structure on the (co)tangent bundle through the left invariant affine structure $\nabla$ such that the resulting Lie group admits families of left invariant hypersymplectic structures and thus becomes a hypersymplectic Lie group. We consider the affine cotangent extension problem and then introduce notions of post-affine structure and post-left-symmetric algebra which is the underlying algebraic structure of a special symplectic Lie algebra. Furthermore, we give a kind of double extensions of special symplectic Lie groups in terms of post-left-symmetric algebras.Comment: 32 page

Slender double-tube ultra-high strength concrete-filled tubular columns under ambient temperature and fire

This paper presents the results of an experimental campaign where both the room temperature and the fire resistance of six double-tube concrete filled steel tubular slender columns with different combinations of concrete strength are studied. Firstly, the ultimate axial load of the specimens at room temperatura was experimentally obtained and afterwards the fire resistance of such columns subjected to a 20% of their load bearing capacity was measured. Given the reduced number of experimental results found in the literature on slender concrete filled tubular columns with double steel tubular cross-sections, the main objective of this paper is to compare the behaviour of such innovative cross-sections under ambient and high temperatures. The influence of filling the inner ring with concrete on the fire performance of these columns is studied in this paper, as well as the variation of thicknesses of the outer and inner steel tubes. Despite the fact that the tested columns are not covered by the scope of Eurocode 4, the current simple calculation models were applied in this paper in order to assess the validity of the standard to this typology of columns, unsafe results being found.The authors would like to express their sincere gratitude to the Spanish Ministry of Economy and Competitivity through the project BIA2012-33144 and to the European Community for the FEDER funds.Romero, ML.; Espinós Capilla, A.; Portoles Flaj, JM.; Hospitaler Pérez, A.; Ibáñez Usach, C. (2015). Slender double-tube ultra-high strength concrete-filled tubular columns under ambient temperature and fire. Engineering Structures. 99:536-545. https://doi.org/10.1016/j.engstruct.2015.05.026S5365459